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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dipeptidyl peptidase 4 | ||
| Ligand | BDBM50356585 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_776111 (CHEMBL1912807) | ||
| Ki | 0.3±n/a nM | ||
| Citation |  Wang, W; Devasthale, P; Wang, A; Harrity, T; Egan, D; Morgan, N; Cap, M; Fura, A; Klei, HE; Kish, K; Weigelt, C; Sun, L; Levesque, P; Li, YX; Zahler, R; Kirby, MS; Hamann, LG 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg Med Chem Lett21:6646-51 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dipeptidyl peptidase 4 | |||
| Name: | Dipeptidyl peptidase 4 | ||
| Synonyms: | ADABP | ADCP2 | Adenosine deaminase complexing protein 2 | CD26 | CD_antigen=CD26 | DPP IV | DPP4 | DPP4_HUMAN | DPPIV | Dipeptidyl peptidase 4 (DDP-IV) | Dipeptidyl peptidase 4 (DPP IV) | Dipeptidyl peptidase 4 (DPP-4) | Dipeptidyl peptidase 4 (DPP4) | Dipeptidyl peptidase 4 (DPPIV) | Dipeptidyl peptidase 4 membrane form | Dipeptidyl peptidase 4 soluble form | Dipeptidyl peptidase IV | Dipeptidyl peptidase IV (DDP-4) | Dipeptidyl peptidase IV (DDP-IV) | Dipeptidyl peptidase IV (DPP IV) | Dipeptidyl peptidase IV membrane form | Dipeptidyl peptidase IV soluble form | Dipeptidyl peptidase-IV (DPP-4) | Dipeptidyl peptidase-IV (DPP-IV) | T-cell activation antigen CD26 | TP103 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 88271.01 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P27487 | ||
| Residue: | 766 | ||
| Sequence: |
| ||
| BDBM50356585 | |||
| n/a | |||
| Name | BDBM50356585 | ||
| Synonyms: | CHEMBL1910123 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H22Cl2N4O2 | ||
| Mol. Mass. | 433.331 | ||
| SMILES | Cc1nc2C(=O)N(CC(=O)N3CCCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(22.17,-39.13,;20.84,-39.9,;19.5,-39.14,;18.17,-39.91,;16.71,-39.44,;16.24,-37.97,;15.8,-40.68,;14.27,-40.68,;13.5,-42.02,;14.28,-43.35,;11.96,-42.02,;11.05,-40.78,;9.59,-41.26,;9.59,-42.8,;11.06,-43.27,;16.71,-41.93,;18.17,-41.45,;19.51,-42.22,;20.84,-41.45,;22.18,-42.22,;23.51,-41.45,;19.51,-43.76,;18.17,-44.53,;18.17,-46.07,;19.51,-46.84,;19.51,-48.38,;20.84,-46.06,;20.84,-44.52,;22.17,-43.75,)| | ||
| Structure | 
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